Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50352644
Substrate
n/a
Meas. Tech.
ChEMBL_766490 (CHEMBL1826755)
pH
8.3±n/a
Ki
4095±n/a nM
Comments
extracted
Citation
 Rami, M; Innocenti, A; Montero, JL; Scozzafava, A; Winum, JY; Supuran, CT Synthesis of rhodamine B-benzenesulfonamide conjugates and their inhibitory activity against humana- and bacterial/fungalß-carbonic anhydrases. Bioorg Med Chem Lett 21:5210-3 (2011) [PubMed]  Article 
Target
Name:
Carbonic anhydrase
Synonyms:
CAN_CANAL | NCE103 | beta-Carbonic Anhydrase
Type:
Enzyme
Mol. Mass.:
31587.59
Organism:
Candida albicans (Yeast)
Description:
n/a
Residue:
281
Sequence:
MGRENILKYQLEHDHESDLVTEKDQSLLLDNNNNLNGMNNTIKTHPVRVSSGNHNNFPFTLSSESTLQDFLNNNKFFVDSIKHNHGNQIFDLNGQGQSPHTLWIGCSDSRAGDQCLATLPGEIFVHRNIANIVNANDISSQGVIQFAIDVLKVKKIIVCGHTDCGGIWASLSKKKIGGVLDLWLNPVRHIRAANLKLLEEYNQDPKLKAKKLAELNVISSVTALKRHPSASVALKKNEIEVWGMLYDVATGYLSQVEIPQDEFEDLFHVHDEHDEEEYNPH
  
Inhibitor
Name:
BDBM50352644
Synonyms:
CHEMBL1822700
Type:
Small organic molecule
Emp. Form.:
C34H36N4O4S
Mol. Mass.:
596.739
SMILES:
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Structure:
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